(3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol

C20H25N5O2 — CID 175519459

IUPAC(3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1.O[C@@H]1CCNC1
InChIInChI=1S/C16H16N4O.C4H9NO/c21-13-7-9-19(11-13)16-10-14(12-4-2-1-3-5-12)18-15-6-8-17-20(15)16;6-4-1-2-5-3-4/h1-6,8,10,13,21H,7,9,11H2;4-6H,1-3H2/t13-;4-/m11/s1
InChIKeySDTWNCWHHXFRJV-HSZIKTEZSA-N
MW367.45 g/mol
LogP1.31
Rot. Bonds2

About (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol

(3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol (PubChem CID 175519459) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
PubChem CID175519459
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1.O[C@@H]1CCNC1
InChIInChI=1S/C16H16N4O.C4H9NO/c21-13-7-9-19(11-13)16-10-14(12-4-2-1-3-5-12)18-15-6-8-17-20(15)16;6-4-1-2-5-3-4/h1-6,8,10,13,21H,7,9,11H2;4-6H,1-3H2/t13-;4-/m11/s1
InChIKeySDTWNCWHHXFRJV-HSZIKTEZSA-N
XLogP1.31
TPSA85.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol (CID 175519459) is (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol is O[C@@H]1CCN(c2cc(-c3ccccc3)nc3ccnn23)C1.O[C@@H]1CCNC1.
What is the InChIKey of (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol?
The InChIKey is SDTWNCWHHXFRJV-HSZIKTEZSA-N. The full InChI is InChI=1S/C16H16N4O.C4H9NO/c21-13-7-9-19(11-13)16-10-14(12-4-2-1-3-5-12)18-15-6-8-17-20(15)16;6-4-1-2-5-3-4/h1-6,8,10,13,21H,7,9,11H2;4-6H,1-3H2/t13-;4-/m11/s1.
What are the key properties of (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol?
(3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol has a molecular weight of 367.45 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol;(3R)-pyrrolidin-3-ol is sourced from PubChem (CID 175519459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).